SCHEMBL7400508

SCHEMBL7400508

CCCCCN1CCCC(Oc2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPY1R P25929 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.50
KDM2B Q8NHM5 1/20 0.49
LTA4H P09960 1/20 0.49
HRH3 Q9Y5N1 6/20 0.48
MCHR1 Q99705 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7398991 0.99 KDM4E (0.53) KDM4ENPC1RAB9AALDH1A1L3MBTL1
SCHEMBL9527422 0.84 KDM4E (0.54) KDM4ENPC1RAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9527542 0.83 KDM4E (0.53) KDM4ENPC1RAB9AALDH1A1L3MBTL1
SCHEMBL23475146 0.81 ESR1 (0.52) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27140298 0.81 ESR1 (0.52) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9706744 0.80 KCNH2 (0.55) KDM4ENPC1RAB9AALDH1A1L3MBTL1
SCHEMBL13896891 0.79 DRD2 (0.60) KDM2B
SCHEMBL7402234 0.79 HRH3 (0.54) KDM4ENPC1RAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9368539 0.79 KCNH2 (0.54) KDM4ENPC1RAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7397477 0.78 HRH3 (0.53) KDM4ENPC1RAB9AALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637303-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-08 EP claimed
WO-1993022302-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-11-11 WO claimed